Mrv1652309062205452D 21 22 0 0 1 0 999 V2000 2.2295 -3.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2295 -2.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 -2.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -2.4327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3729 -2.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0874 -2.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3729 -1.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 -2.0202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7614 -2.3557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2093 -1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6157 -1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0282 -1.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8532 -1.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2657 -1.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2657 -0.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6157 -0.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0282 0.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6157 1.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2093 -0.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6218 -1.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 -1.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 8 2 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 12 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 2 0 0 0 0 10 20 1 0 0 0 0 20 21 1 0 0 0 0 8 21 1 0 0 0 0 M END > NP0225125 > NP-MRD > COC1=C(C=C2C[C@@H](OC2=C1)C(=C)COC(C)=O)C(C)=O > InChI=1S/C16H18O5/c1-9(8-20-11(3)18)14-6-12-5-13(10(2)17)16(19-4)7-15(12)21-14/h5,7,14H,1,6,8H2,2-4H3/t14-/m1/s1 > HWPUFUFZGRKYLJ-CQSZACIVSA-N > C16H18O5 > 290.315 > 290.11542368 > 4 > 39 > 30.517823936364113 > 1 > 0 > 0 > 1 > 2-[(2R)-5-acetyl-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]prop-2-en-1-yl acetate > 1.450171728333334 > 0 > 2 > 0 > 15.803214236291609 > -4.588729085114431 > 61.83000000000001 > 76.73790000000001 > 6 > 1 > 2-[(2R)-5-acetyl-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]prop-2-en-1-yl acetate > 0 > NP0225125 > 2-[(2r)-5-acetyl-6-methoxy-2,3-dihydro-1-benzofuran-2-yl]prop-2-en-1-yl acetate $$$$